SCHEMBL7355483

SCHEMBL7355483

COC(=O)c1ccc(SC)c(OCCC(C)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 4/20 0.40
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TTR P02766 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7362514 0.89 MAPK1 (0.43) HTTTAS1R3TAS1R1CA12CA1
SCHEMBL7352361 0.88 TAS1R3 (0.37) KDM4EALDH1A1KMT2AHTTTAS1R3
SCHEMBL7351090 0.83 MAPT (0.47) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL7362348 0.80 MAPT (0.44) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL7362668 0.80 TAS1R3 (0.46) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL7363191 0.79 PDE4B (0.56)
SCHEMBL7356100 0.77 MAPT (0.46) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL7362670 0.75 CA12 (0.43) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL1561635 0.74 LPAR1 (0.63) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7354912 0.73 F10 (0.56)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed